3037100 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 29 29 16 16 16 16 16 16 16 8 8 8 8 7 7 7 7 7 7 7 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 10 -1 11 -1 3 4 5 6 7 8 9 9 9 9 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 27 28 29 30 31 10 11 12 13 26 32 33 26 34 35 27 36 37 27 38 39 28 40 41 28 42 43 29 44 45 29 46 47 30 48 49 30 50 51 31 52 53 31 54 55 2 2 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 7.7331 4.269 12.0021 2.269 12.0021 12.0021 16.2711 12.0021 6.001 6.8671 5.135 5.501 6.501 10.27 11.136 0.5369 1.403 10.27 11.136 10.27 11.136 14.539 15.405 10.27 11.136 11.136 1.403 11.136 11.136 15.405 11.136 9.7331 10.27 11.673 10.5991 0 0.5369 1.9399 0.866 9.7331 10.27 11.673 10.5991 9.7331 10.27 11.673 10.5991 14.0021 14.539 15.942 14.8681 9.7331 10.27 11.673 10.5991 7.86 7.86 6.24 8.455 10.67 15.1 8.455 1.81 7.86 8.36 7.36 8.726 6.994 6.24 4.74 8.455 6.955 10.67 9.17 15.1 13.6 8.455 6.955 1.81 0.31 5.74 7.955 10.17 14.6 7.955 1.31 5.93 6.86 4.43 4.43 8.145 9.075 6.645 6.645 10.36 11.29 8.86 8.86 14.79 15.72 13.29 13.29 8.145 9.075 6.645 6.645 1.5 2.43 0 0 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 91.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E063F8007000000400000000000000000000000000000000000000000000000000000004041000000000000000000100004000000400000000300000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 dicuprous;thiourea;sulfate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper(1+);thiourea;sulfate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper(1+);thiourea;sulfate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper(1+);thiourea;sulfate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper(1+);thiourea;sulfate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 dicuprous;thiourea;sulfate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/6CH4N2S.2Cu.H2O4S/c6*2-1(3)4;;;1-5(2,3)4/h6*(H4,2,3,4);;;(H2,1,2,3,4)/q;;;;;;2*+1;/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WWMMQZFUEQDGSW-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 677.868040 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H24Cu2N12O4S7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 679.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.[O-]S(=O)(=O)[O-].[Cu+].[Cu+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.C(=S)(N)N.[O-]S(=O)(=O)[O-].[Cu+].[Cu+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 593 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 677.868040 31 0 0 0 0 0 0 0 9 -1